3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one

C20H15F3N2O2 — CID 126473800

IUPAC3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one
SMILESCC1(Cc2ccc(C(F)(F)F)o2)C(=O)Nc2ccc(-c3cccnc3)cc21
InChIInChI=1S/C20H15F3N2O2/c1-19(10-14-5-7-17(27-14)20(21,22)23)15-9-12(13-3-2-8-24-11-13)4-6-16(15)25-18(19)26/h2-9,11H,10H2,1H3,(H,25,26)
InChIKeyRFODGXMUNNXTKH-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.81
Rot. Bonds3

About 3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one

3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one (PubChem CID 126473800) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one
PubChem CID126473800
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one
SMILESCC1(Cc2ccc(C(F)(F)F)o2)C(=O)Nc2ccc(-c3cccnc3)cc21
InChIInChI=1S/C20H15F3N2O2/c1-19(10-14-5-7-17(27-14)20(21,22)23)15-9-12(13-3-2-8-24-11-13)4-6-16(15)25-18(19)26/h2-9,11H,10H2,1H3,(H,25,26)
InChIKeyRFODGXMUNNXTKH-UHFFFAOYSA-N
XLogP4.81
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one?
The IUPAC name of 3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one (CID 126473800) is 3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one.
What is the SMILES notation for 3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one?
The canonical SMILES for 3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one is CC1(Cc2ccc(C(F)(F)F)o2)C(=O)Nc2ccc(-c3cccnc3)cc21.
What is the InChIKey of 3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one?
The InChIKey is RFODGXMUNNXTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c1-19(10-14-5-7-17(27-14)20(21,22)23)15-9-12(13-3-2-8-24-11-13)4-6-16(15)25-18(19)26/h2-9,11H,10H2,1H3,(H,25,26).
What are the key properties of 3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one?
3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one has a molecular weight of 372.35 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pyridin-3-yl-3-[[5-(trifluoromethyl)furan-2-yl]methyl]-1H-indol-2-one is sourced from PubChem (CID 126473800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).